3-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(o-tolyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-methylphenyl)-5-(2-phenoxyethylthio)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-methylphenyl)-5-(2-phenoxyethylsulfanyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(o-tolyl)-5-(2-phenoxyethylthio)-1,2,4-triazole Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2CC=C)SCCOC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS/c1-3-13-23-19(18-12-8-7-9-16(18)2)21-22-20(23)25-15-14-24-17-10-5-4-6-11-17/h3-12H,1,13-15H2,2H3